Geometry & MOs

Info

ID:	241219
PubChem CID:	96022030
Reduced:	F2N3H11C13 (1)
Stoich.:	A2B3C11D13 (1)
Weight, g/mol:	260.112505
ΔH_f, kcal/mol:	-24.87
Dipole, Da:	2.05
IP(EA), eV:	-9.33(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-6,8-difluoro-1-(5-methylpyridin-3-yl)-1,2,3,4-tetrahydroisoquinoline

Drug info:

PubChemData

Smile

C1CN[C@@H](C2=C1C=C(C=C2F)F)C3=NC=CC=N3

DOS

IR

Vibrations